N-butyl-2-(3-formylpyrrol-1-yl)acetamide

C11H16N2O2 — CID 66409664

IUPACN-butyl-2-(3-formylpyrrol-1-yl)acetamide
SMILESCCCCNC(=O)Cn1ccc(C=O)c1
InChIInChI=1S/C11H16N2O2/c1-2-3-5-12-11(15)8-13-6-4-10(7-13)9-14/h4,6-7,9H,2-3,5,8H2,1H3,(H,12,15)
InChIKeyMVMMQBHBHGNNKA-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.22
Rot. Bonds6

About N-butyl-2-(3-formylpyrrol-1-yl)acetamide

N-butyl-2-(3-formylpyrrol-1-yl)acetamide (PubChem CID 66409664) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is N-butyl-2-(3-formylpyrrol-1-yl)acetamide.

Molecular Properties

Compound NameN-butyl-2-(3-formylpyrrol-1-yl)acetamide
PubChem CID66409664
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC NameN-butyl-2-(3-formylpyrrol-1-yl)acetamide
SMILESCCCCNC(=O)Cn1ccc(C=O)c1
InChIInChI=1S/C11H16N2O2/c1-2-3-5-12-11(15)8-13-6-4-10(7-13)9-14/h4,6-7,9H,2-3,5,8H2,1H3,(H,12,15)
InChIKeyMVMMQBHBHGNNKA-UHFFFAOYSA-N
XLogP1.22
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-butyl-2-(3-formylpyrrol-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(butylamino)-2-oxoethyl]pyrrole-3-carboxylic acid
CID 79103342
N-butyl-2-(4-oxo-1-pyridinyl)acetamide
CID 116622191
2-(3-formylpyrrol-1-yl)acetic acid
CID 19763688
N-butyl-2-[3-[1-(propylamino)propyl]pyrrol-1-yl]acetamide
CID 79105170
1-(2-methylidenebutyl)pyrrole-3-carbaldehyde
CID 66410536
2-(3-acetylpyrrol-1-yl)-N-propylacetamide
CID 79107025
2-[3-(aminomethyl)pyrrol-1-yl]-N-propylacetamide
CID 66407532
N-butyl-4-formylbenzamide
CID 118474745
1-(2-bromoprop-2-enyl)pyrrole-3-carbaldehyde
CID 66410542
N-(3-methoxypropyl)-2-(3-propanoylpyrrol-1-yl)acetamide
CID 79099198
N-(3-methoxypropyl)-2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide
CID 79098591
1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrrole-3-carboxylic acid
CID 79103179

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(3-formylpyrrol-1-yl)acetamide?
The IUPAC name of N-butyl-2-(3-formylpyrrol-1-yl)acetamide (CID 66409664) is N-butyl-2-(3-formylpyrrol-1-yl)acetamide.
What is the SMILES notation for N-butyl-2-(3-formylpyrrol-1-yl)acetamide?
The canonical SMILES for N-butyl-2-(3-formylpyrrol-1-yl)acetamide is CCCCNC(=O)Cn1ccc(C=O)c1.
What is the InChIKey of N-butyl-2-(3-formylpyrrol-1-yl)acetamide?
The InChIKey is MVMMQBHBHGNNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-2-3-5-12-11(15)8-13-6-4-10(7-13)9-14/h4,6-7,9H,2-3,5,8H2,1H3,(H,12,15).
What are the key properties of N-butyl-2-(3-formylpyrrol-1-yl)acetamide?
N-butyl-2-(3-formylpyrrol-1-yl)acetamide has a molecular weight of 208.26 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(3-formylpyrrol-1-yl)acetamide is sourced from PubChem (CID 66409664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).